Information card for entry 4305932

Structure parameters

• Formula: C18 H36 Cs3 Ge Na O46 Sn3 W9
• Calculated formula: C18 H15 Cs3 Ge Na O44.98 Sn3 W9
• SMILES: c1(ccccc1)[Sn]1234[O]56[W]78(O[W]96(O[W]6%10%11(O[W]%12%13%14(O[W]%15%16%17(O[W]%18%19(O8)(O[W]8%20(O7)(O[W]7(O6)(O9)(O[W](O%15)(O%12)(O8)(=O)[O]%207[Ge]65[O]%16%18[Sn](c5ccccc5)(O[Sn](c5ccccc5)(O2)([O]%10%136)(O%11)O%14)(O3)(O%17)O%19)=O)=O)=O)=O)=O)=O)(=O)O4)(=O)O1.[Cs+].[Na+].O.O.[Cs+].O.O.O.[Cs+].O.O.O
• Title of publication: Phenyltin-Substituted 9-Tungstogermanate and Comparison with Its Tungstosilicate Analogue
• Authors of publication: Santiago Reinoso; Michael H. Dickman; Antonia Praetorius; Luis Fernando Piedra-Garza; Ulrich Kortz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8798 - 8806
• a: 16.8069 ± 0.0003 Å
• b: 16.8069 ± 0.0003 Å
• c: 33.8171 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8272.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No